Geometry & MOs

Info

ID:	230816
PubChem CID:	87572060
Reduced:	FN2O10C23H31 (1)
Stoich.:	AB2C10D23E31 (1)
Weight, g/mol:	166.084993
ΔH_f, kcal/mol:	-433.93
Dipole, Da:	2.71
IP(EA), eV:	-8.67(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,3,3-tetramethyl-1,3-dithiolane

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C(C)C)O[C@]2([C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)OC)O)O)O)O)CC3=CC(=C(C=C3)OC)F

DOS

IR

Vibrations